SCHEMBL5528175

SCHEMBL5528175

O=[N+]([O-])c1cc(Br)ccc1-c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
PTGES O14684 1/20 0.41
MAPT P10636 2/20 0.39
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
AMY1A P0DUB6 1/20 0.38
MC4R P32245 2/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31658933 0.90 S100A4 (0.44) S100A4TRPV1ADRA2AADRA2BADRA2C
SCHEMBL5249670 0.83 MAPT (0.56) S100A4MAPTGSK3BMEN1NPC1
SCHEMBL8536034 0.82 ESR1 (0.43) MAPTCSNK1A1TYRO3DYRK1BCCNB2
SCHEMBL8540810 0.82 TSHR (0.50) MAPTMMP13MMP2MMP9MMP8
SCHEMBL8537593 0.82 GSK3B (0.47) MAPTCCNB2CDK1CCNB1GSK3A
SCHEMBL10680334 0.81 MAPT (0.39) MAPTCSNK1A1TYRO3DYRK1BCCNB2
SCHEMBL1303527 0.80 CSNK1A1 (0.50) PTGESMAPTCSNK1A1TYRO3DYRK1B
SCHEMBL8536429 0.78 VCAM1 (0.50) MAPTMEN1KMT2A
SCHEMBL8536432 0.78 ALDH1A1 (0.48) ADRA2AADRA2CMAPTAMY1AGSK3B
SCHEMBL204357 0.78 S100A4 (0.61) S100A4TRPV1MAPTRAB9AGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed